6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine

C19H32N6 — CID 67455258

IUPAC6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3C[C@H]4CC[C@]3(C)C4(C)C)nc(N)n2)CC1
InChIInChI=1S/C19H32N6/c1-18(2)13-5-6-19(18,3)14(11-13)21-15-12-16(23-17(20)22-15)25-9-7-24(4)8-10-25/h12-14H,5-11H2,1-4H3,(H3,20,21,22,23)/t13-,14?,19+/m1/s1
InChIKeyNAWYDFRCCAMHGN-QWYDSHIESA-N
MW344.51 g/mol
LogP2.44
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine

6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine (PubChem CID 67455258) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
PubChem CID67455258
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3C[C@H]4CC[C@]3(C)C4(C)C)nc(N)n2)CC1
InChIInChI=1S/C19H32N6/c1-18(2)13-5-6-19(18,3)14(11-13)21-15-12-16(23-17(20)22-15)25-9-7-24(4)8-10-25/h12-14H,5-11H2,1-4H3,(H3,20,21,22,23)/t13-,14?,19+/m1/s1
InChIKeyNAWYDFRCCAMHGN-QWYDSHIESA-N
XLogP2.44
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine (CID 67455258) is 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine is CN1CCN(c2cc(NC3C[C@H]4CC[C@]3(C)C4(C)C)nc(N)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
The InChIKey is NAWYDFRCCAMHGN-QWYDSHIESA-N. The full InChI is InChI=1S/C19H32N6/c1-18(2)13-5-6-19(18,3)14(11-13)21-15-12-16(23-17(20)22-15)25-9-7-24(4)8-10-25/h12-14H,5-11H2,1-4H3,(H3,20,21,22,23)/t13-,14?,19+/m1/s1.
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine?
6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine has a molecular weight of 344.51 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67455258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).