4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine

C23H41N7 — CID 151683235

IUPAC4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine
SMILESNC1=NC(C2CC2)(N2C[C@H]3CCCN[C@H]3C2)CC(CC2CC2)(N2CCC(N)CC2)N1
InChIInChI=1S/C23H41N7/c24-19-7-10-29(11-8-19)22(12-16-3-4-16)15-23(18-5-6-18,28-21(25)27-22)30-13-17-2-1-9-26-20(17)14-30/h16-20,26H,1-15,24H2,(H3,25,27,28)/t17-,20+,22?,23?/m1/s1
InChIKeyRAZDALPXZMABKX-MYVKJPDGSA-N
MW415.63 g/mol
LogP1.00
Rot. Bonds5

About 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine

4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine (PubChem CID 151683235) has the molecular formula C23H41N7 and a molecular weight of 415.63 g/mol. Its IUPAC name is 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine
PubChem CID151683235
Molecular FormulaC23H41N7
Molecular Weight415.63 g/mol
Exact Mass415.34
IUPAC Name4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine
SMILESNC1=NC(C2CC2)(N2C[C@H]3CCCN[C@H]3C2)CC(CC2CC2)(N2CCC(N)CC2)N1
InChIInChI=1S/C23H41N7/c24-19-7-10-29(11-8-19)22(12-16-3-4-16)15-23(18-5-6-18,28-21(25)27-22)30-13-17-2-1-9-26-20(17)14-30/h16-20,26H,1-15,24H2,(H3,25,27,28)/t17-,20+,22?,23?/m1/s1
InChIKeyRAZDALPXZMABKX-MYVKJPDGSA-N
XLogP1.00
TPSA94.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine?
The IUPAC name of 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine (CID 151683235) is 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine?
The canonical SMILES for 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine is NC1=NC(C2CC2)(N2C[C@H]3CCCN[C@H]3C2)CC(CC2CC2)(N2CCC(N)CC2)N1.
What is the InChIKey of 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine?
The InChIKey is RAZDALPXZMABKX-MYVKJPDGSA-N. The full InChI is InChI=1S/C23H41N7/c24-19-7-10-29(11-8-19)22(12-16-3-4-16)15-23(18-5-6-18,28-21(25)27-22)30-13-17-2-1-9-26-20(17)14-30/h16-20,26H,1-15,24H2,(H3,25,27,28)/t17-,20+,22?,23?/m1/s1.
What are the key properties of 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine?
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine has a molecular weight of 415.63 g/mol, XLogP of 1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-(4-aminopiperidin-1-yl)-4-cyclopropyl-6-(cyclopropylmethyl)-1,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 151683235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).