4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine

C19H29N7O — CID 126888529

IUPAC4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(CC3OCCc4c3cnn4C)CC2)ncn1
InChIInChI=1S/C19H29N7O/c1-24(2)19-10-18(20-13-21-19)23-14-4-7-26(8-5-14)12-17-15-11-22-25(3)16(15)6-9-27-17/h10-11,13-14,17H,4-9,12H2,1-3H3,(H,20,21,23)
InChIKeyPLNFGHNBPLYDBF-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.47
Rot. Bonds5

About 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine

4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 126888529) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID126888529
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(CC3OCCc4c3cnn4C)CC2)ncn1
InChIInChI=1S/C19H29N7O/c1-24(2)19-10-18(20-13-21-19)23-14-4-7-26(8-5-14)12-17-15-11-22-25(3)16(15)6-9-27-17/h10-11,13-14,17H,4-9,12H2,1-3H3,(H,20,21,23)
InChIKeyPLNFGHNBPLYDBF-UHFFFAOYSA-N
XLogP1.47
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine (CID 126888529) is 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(CC3OCCc4c3cnn4C)CC2)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is PLNFGHNBPLYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-24(2)19-10-18(20-13-21-19)23-14-4-7-26(8-5-14)12-17-15-11-22-25(3)16(15)6-9-27-17/h10-11,13-14,17H,4-9,12H2,1-3H3,(H,20,21,23).
What are the key properties of 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 371.49 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 126888529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).