4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine

C16H25N7 — CID 172881585

IUPAC4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCc1[nH]ncc1CN1CCC(N(C)c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C16H25N7/c1-12-13(8-19-20-12)9-23-6-5-14(10-23)22(4)16-7-15(21(2)3)17-11-18-16/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyGJIWFQSKPCHWFV-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.28
Rot. Bonds5

About 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine

4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine (PubChem CID 172881585) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
PubChem CID172881585
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
SMILESCc1[nH]ncc1CN1CCC(N(C)c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C16H25N7/c1-12-13(8-19-20-12)9-23-6-5-14(10-23)22(4)16-7-15(21(2)3)17-11-18-16/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyGJIWFQSKPCHWFV-UHFFFAOYSA-N
XLogP1.28
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine (CID 172881585) is 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine is Cc1[nH]ncc1CN1CCC(N(C)c2cc(N(C)C)ncn2)C1.
What is the InChIKey of 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
The InChIKey is GJIWFQSKPCHWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-12-13(8-19-20-12)9-23-6-5-14(10-23)22(4)16-7-15(21(2)3)17-11-18-16/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,19,20).
What are the key properties of 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine?
4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine has a molecular weight of 315.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-trimethyl-4-N-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 172881585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).