4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine

C18H23N5 — CID 95895184

IUPAC4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine
SMILESNc1cc(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)ncn1
InChIInChI=1S/C18H23N5/c19-17-10-18(21-12-20-17)22-15-6-3-7-23(11-15)16-8-13-4-1-2-5-14(13)9-16/h1-2,4-5,10,12,15-16H,3,6-9,11H2,(H3,19,20,21,22)/t15-/m1/s1
InChIKeyOIXMLYNWXIOSNT-OAHLLOKOSA-N
MW309.42 g/mol
LogP2.10
Rot. Bonds3

About 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine

4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 95895184) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine
PubChem CID95895184
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine
SMILESNc1cc(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)ncn1
InChIInChI=1S/C18H23N5/c19-17-10-18(21-12-20-17)22-15-6-3-7-23(11-15)16-8-13-4-1-2-5-14(13)9-16/h1-2,4-5,10,12,15-16H,3,6-9,11H2,(H3,19,20,21,22)/t15-/m1/s1
InChIKeyOIXMLYNWXIOSNT-OAHLLOKOSA-N
XLogP2.10
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine (CID 95895184) is 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine is Nc1cc(N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)ncn1.
What is the InChIKey of 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is OIXMLYNWXIOSNT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5/c19-17-10-18(21-12-20-17)22-15-6-3-7-23(11-15)16-8-13-4-1-2-5-14(13)9-16/h1-2,4-5,10,12,15-16H,3,6-9,11H2,(H3,19,20,21,22)/t15-/m1/s1.
What are the key properties of 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine?
4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 309.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 95895184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).