4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine

C20H28N6 — CID 171996875

IUPAC4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cccnc1N1CCC(N(c2cc(N(C)C)ncn2)C2CC2)CC1
InChIInChI=1S/C20H28N6/c1-15-5-4-10-21-20(15)25-11-8-17(9-12-25)26(16-6-7-16)19-13-18(24(2)3)22-14-23-19/h4-5,10,13-14,16-17H,6-9,11-12H2,1-3H3
InChIKeyVEKUJAUAPQBDKX-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.88
Rot. Bonds5

About 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine (PubChem CID 171996875) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
PubChem CID171996875
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine
SMILESCc1cccnc1N1CCC(N(c2cc(N(C)C)ncn2)C2CC2)CC1
InChIInChI=1S/C20H28N6/c1-15-5-4-10-21-20(15)25-11-8-17(9-12-25)26(16-6-7-16)19-13-18(24(2)3)22-14-23-19/h4-5,10,13-14,16-17H,6-9,11-12H2,1-3H3
InChIKeyVEKUJAUAPQBDKX-UHFFFAOYSA-N
XLogP2.88
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine (CID 171996875) is 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine is Cc1cccnc1N1CCC(N(c2cc(N(C)C)ncn2)C2CC2)CC1.
What is the InChIKey of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine?
The InChIKey is VEKUJAUAPQBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-15-5-4-10-21-20(15)25-11-8-17(9-12-25)26(16-6-7-16)19-13-18(24(2)3)22-14-23-19/h4-5,10,13-14,16-17H,6-9,11-12H2,1-3H3.
What are the key properties of 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine has a molecular weight of 352.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N,6-N-dimethyl-4-N-[1-(3-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 171996875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).