N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C16H23N7 — CID 56740762

IUPACN,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc2n(n1)CCN(c1nc(N(C)C)nc3c1CCNC3)C2
InChIInChI=1S/C16H23N7/c1-11-8-12-10-22(6-7-23(12)20-11)15-13-4-5-17-9-14(13)18-16(19-15)21(2)3/h8,17H,4-7,9-10H2,1-3H3
InChIKeyMESVWZOPOPMMBA-UHFFFAOYSA-N
MW313.41 g/mol
LogP0.71
Rot. Bonds2

About N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 56740762) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID56740762
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC NameN,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc2n(n1)CCN(c1nc(N(C)C)nc3c1CCNC3)C2
InChIInChI=1S/C16H23N7/c1-11-8-12-10-22(6-7-23(12)20-11)15-13-4-5-17-9-14(13)18-16(19-15)21(2)3/h8,17H,4-7,9-10H2,1-3H3
InChIKeyMESVWZOPOPMMBA-UHFFFAOYSA-N
XLogP0.71
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 56740762) is N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is Cc1cc2n(n1)CCN(c1nc(N(C)C)nc3c1CCNC3)C2.
What is the InChIKey of N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is MESVWZOPOPMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-11-8-12-10-22(6-7-23(12)20-11)15-13-4-5-17-9-14(13)18-16(19-15)21(2)3/h8,17H,4-7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 313.41 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 56740762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).